CL(i-13:0/a-13:0/i-12:0/i-19:0)[rac]

Properties Image MNX_ID MNXM1110521 reference hmdb:HMDB0090551 formula C66H128O17P2 global charge 0 mol weight 1255.681 InChIKey JFDOIRGCOQVDAE-IVKGCWJXSA-N InChI InChI=1S/C66H128O17P2/c1-9-59(8)45-37-29-23-25-33-41-49-66(71)83-62(52-76-63(68)46-38-30-21-17-19-27-35-43-57(4)5)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(53-77-64(69)47-39-31-24-22-28-36-44-58(6)7)82-65(70)48-40-32-20-16-14-12-10-11-13-15-18-26-34-42-56(2)3/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t59?,60-,61-,62-/m1/s1 SMILES CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C66H128O17P2/c1-9-59(8)45-37-29-23-25-33-41-49-66(71)83-62(52-76-63(68)46-38-30-21-17-19-27-35-43-57(4)5)55-81-85(74,75)79-51-60(67)50-78-84(72,73)80-54-61(53-77-64(69)47-39-31-24-22-28-36-44-58(6)7)82-65(70)48-40-32-20-16-14-12-10-11-13-15-18-26-34-42-56(2)3/h56-62,67H,9-55H2,1-8H3,(H,72,73)(H,74,75)/t59?,60-,61-,62-/m1/s1 SMILES (mnx) [CH3:1][CH2:9][CH:59]([CH3:8])[CH2:45][CH2:37][CH2:29][CH2:23][CH2:25][CH2:33][CH2:41][CH2:49][C:66](=[O:71])[O:83][C@H:62]([CH2:52][O:76][C:63]([CH2:46][CH2:38][CH2:30][CH2:21][CH2:17][CH2:19][CH2:27][CH2:35][CH2:43][CH:57]([CH3:4])[CH3:5])=[O:68])[CH2:55][O:81][P:85]([OH:74])(=[O:75])[O:79][CH2:51][C@@H:60]([CH2:50][O:78][P:84]([OH:72])(=[O:73])[O:80][CH2:54][C@@H:61]([CH2:53][O:77][C:64]([CH2:47][CH2:39][CH2:31][CH2:24][CH2:22][CH2:28][CH2:36][CH2:44][CH:58]([CH3:6])[CH3:7])=[O:69])[O:82][C:65]([CH2:48][CH2:40][CH2:32][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH2:11][CH2:13][CH2:15][CH2:18][CH2:26][CH2:34][CH2:42][CH:56]([CH3:2])[CH3:3])=[O:70])[OH:67]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0